2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one

C18H18O2 — CID 132607316

IUPAC2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one
SMILESCCCc1ccc(C2CC=CC(=O)O2)c2ccccc12
InChIInChI=1S/C18H18O2/c1-2-6-13-11-12-16(15-8-4-3-7-14(13)15)17-9-5-10-18(19)20-17/h3-5,7-8,10-12,17H,2,6,9H2,1H3
InChIKeyYIDMKSVMWCTYJV-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.34
Rot. Bonds3

About 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one

2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one (PubChem CID 132607316) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one
PubChem CID132607316
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one
SMILESCCCc1ccc(C2CC=CC(=O)O2)c2ccccc12
InChIInChI=1S/C18H18O2/c1-2-6-13-11-12-16(15-8-4-3-7-14(13)15)17-9-5-10-18(19)20-17/h3-5,7-8,10-12,17H,2,6,9H2,1H3
InChIKeyYIDMKSVMWCTYJV-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one (CID 132607316) is 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one is CCCc1ccc(C2CC=CC(=O)O2)c2ccccc12.
What is the InChIKey of 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one?
The InChIKey is YIDMKSVMWCTYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-6-13-11-12-16(15-8-4-3-7-14(13)15)17-9-5-10-18(19)20-17/h3-5,7-8,10-12,17H,2,6,9H2,1H3.
What are the key properties of 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one?
2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one has a molecular weight of 266.34 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylnaphthalen-1-yl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 132607316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).